Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10654029 | 0.98 | — | — | |
| SCHEMBL10654026 | 0.98 | — | — | |
| SCHEMBL10654009 | 0.76 | — | — | |
| Bromide SCHEMBL10656815 | 0.74 | BLM (0.43) | — | |
| SCHEMBL10656317 | 0.72 | NOS3 (0.45) | — | |
| SCHEMBL10656313 | 0.72 | NOS3 (0.45) | — | |
| Iodide SCHEMBL10658732 | 0.70 | — | — | |
| SCHEMBL10654610 | 0.70 | — | — | |
| Bromide SCHEMBL10656301 | 0.69 | NOS3 (0.47) | — | |
| SCHEMBL10653457 | 0.68 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4710578-A | ANTITUMOR AGENTS, MITICIDES | PEREMARTONI VEGYIPARI VALLALAT (HU) | 1987-12-01 | — | — | US | disclosed |
| EP-0176546-A1 | ISOTHIURONIUM SALTS. | PEREMARTONI VEGYIPARI VALLALAT (HU) | 1986-04-09 | — | — | EP | disclosed |
| WO-1985004399-A1 | ISOTHIURONIUM SALTS | PEREMARTONI VEGYIPARI VÁLLALAT (HU) | 1985-10-10 | — | — | WO | disclosed |